Information card for entry 7007939

Structure parameters

• Formula: C138.1 H106.2 Cl28.2 N16 O8 Pd4
• Calculated formula: C138.1 H106.2 Cl28.2 N16 O8 Pd4
• Title of publication: A chiral [2]catenane self-assembled from meso-macrocycles of palladium(II).
• Authors of publication: Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 268 - 272
• a: 33.094 ± 0.007 Å
• b: 14.712 ± 0.003 Å
• c: 35.077 ± 0.007 Å
• α: 90°
• β: 107.77 ± 0.03°
• γ: 90°
• Cell volume: 16263 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2563
• Weighted residual factors for all reflections included in the refinement: 0.2853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No